Information card for entry 2200859

Structure parameters

• Chemical name: Bis(μ-diethylphosphido)heptacarbonyl- α-ethoxybenzylidene-di-rhenium
• Formula: C24 H30 O8 P2 Re2
• Calculated formula: C24 H30 O8 P2 Re2
• SMILES: [Re]1([P]([Re]([P]1(CC)CC)(C#[O])(C#[O])(C#[O])=C(OCC)c1ccccc1)(CC)CC)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Heptacarbonyl(α-ethoxybenzylidene)di-μ-diethylphosphidodirhenium
• Authors of publication: Flörke, Ulrich; Petters, Dina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m88 - m89
• a: 8.425 ± 0.002 Å
• b: 10.504 ± 0.001 Å
• c: 17.674 ± 0.004 Å
• α: 73.04 ± 0.01°
• β: 78.82 ± 0.01°
• γ: 88.59 ± 0.01°
• Cell volume: 1466.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes